Cas no 52751-67-4 (Isoxazole, 3,5-bis(4-methoxyphenyl)-)
52751-67-4 structure
Product Name:Isoxazole, 3,5-bis(4-methoxyphenyl)-
CAS No:52751-67-4
MF:C17H15NO3
MW:281.305904626846
CID:358931
PubChem ID:10956920
Update Time:2025-04-19
Isoxazole, 3,5-bis(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 3,5-bis(4-methoxyphenyl)-
- 3,5-bis(4-methoxyphenyl)-1,2-oxazole
- 3,5-Bis(4-methoxyphenyl)isoxazole
- NCGC00343024-01
- SCHEMBL1181029
- OFUJZKSPFSYMPL-UHFFFAOYSA-N
- DTXSID30449802
- 52751-67-4
- AB01334915-02
- CHEMBL2272003
- AKOS004090263
-
- Inchi： 1S/C17H15NO3/c1-19-14-7-3-12(4-8-14)16-11-17(21-18-16)13-5-9-15(20-2)10-6-13/h3-11H,1-2H3
- InChI Key： OFUJZKSPFSYMPL-UHFFFAOYSA-N
- SMILES： O1C(=CC(C2C=CC(=CC=2)OC)=N1)C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 281.10525
- Monoisotopic Mass: 281.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 309
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 44.5?2
Experimental Properties
- PSA: 44.49
Isoxazole, 3,5-bis(4-methoxyphenyl)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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